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EC number: 947-137-0 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
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- Specific investigations
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- Additional toxicological data

Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- October from 12 to 15, 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Remarks:
- although the log Pow value is out of the testing method applicability domain, the results can be considered as suitable and well representative for the substance under investigation
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- adopted July 27, 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- log Pow
- Partition coefficient:
- -2.1
- Temp.:
- 20 °C
- pH:
- ca. 4
- Type:
- Pow
- Partition coefficient:
- 0.008
- Temp.:
- 20 °C
- pH:
- ca. 4
- Conclusions:
- log Pow: -2.1 at 20 °C and pH ca 4
- Executive summary:
The partition coefficient of the test item was determined using shake-flask method, in accordante with the method and procedures outlined into the OECD guideline 107. The concentration in the aqueous and octanol phases was determined by spectophotometric validate method. On the basis of the preliminary assay, the value of the partition coefficient was estimated to be 0.0004, which corresponds to log Pow of -3.4.
Three experiments were carried out applying different solvent ratios. In the first experiment, the calculated volume ratio was applied, in the second, this ratio is divided by two and in the third, this ratio is multiplied by two. Test temperature was 20 ± 1 °C. Three parallel tests were carried out.
The partition coefficient (Pow) in n-octanol - water was determined to be 0.0081 ± 0.0020 (95 % confidence interval) at 20 °C and pH ~4, which corresponds to log Pow of -2.1 using the shake flask method.
Conclusion
log Pow: -2.1 at 20 °C and pH ca 4
Reference
Calculated partition coefficient (Pow) and log Pow
Ratio of solvents (n-octanol : Water) | Partition coefficient | Log Partition coefficient | pH conditions | ||
Pow | Mean | Log Pow | Mean | Mean | |
10 : 1 | 0.0062 | 0.0065 | -2.21 | -2.19 | 4.02 |
0.0074 | -2.13 | ||||
0.0059 | -2.23 | ||||
5 : 1 | 0.0114 | 0.0114 | -1.94 | -1.94 | 3.96 |
0.0111 | -1.95 | ||||
0.0116 | -1.94 | ||||
20 : 1 | 0.0063 | 0.0063 | -2.2 | -2.2 | 4.21 |
0.0066 | -2.18 | ||||
0.0059 | -2.23 | ||||
Mean all ±95 % confidence interval |
0.0081 ± 0.0020 | - | -2.11 | - | - |
Measured concentrations
Ratio of solvents (n-octanol : Water) | Measured concentration in n-octanol phase (µg/ml) | Measured concentration in aqueous phase (µg/ml) | pH |
10 : 1 | 0.55 | 87.8 | 4.02 |
0.69 | 93.1 | ||
0.53 | 89.5 | ||
Mean | 0.59 | 90.1 | |
RSD % | 15 | 3 | - |
Measured quantity of test item (Mo; Mw) | 25.6 µg | 396 µg | - |
Total nominal quantity of test item (Ms) | 416 µg | ||
Total quantity of test item (Mo+Mw) in the two-phase system | 422 µg | ||
Recovery | 101 % | ||
5 : 1 | 0.57 | 49.6 | 3.96 |
0.52 | 46.6 | ||
0.58 | 49.7 | ||
Mean | 0.55 | 48.7 | |
RSD % | 6 | 4 | - |
Measured quantity of test item (Mo; Mw) | 22.2 µg | 389 µg | - |
Total nominal quantity of test item (Ms) | 416 µg | ||
Total quantity of test item (Mo+Mw) in the two-phase system | 411 µg | ||
Recovery | 99 % | ||
20 : 1 | 1.11 | 174 | 4.21 |
1.15 | 175 | ||
1.06 | 179 | ||
Mean | 1.11 | 176 | |
RSD % | 4 | 2 | - |
Measured quantity of test item (Mo; Mw) | 50.5 µg | 405 µg | - |
Total nominal quantity of test item (Ms) | 416 µg | ||
Total quantity of test item (Mo+Mw) in the two-phase system | 456 µg | ||
Recovery | 109 % |
Description of key information
log Pow: -2.1 at 20 °C and pH ca 4
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.1
- at the temperature of:
- 20 °C
Additional information
OECD 107 - Shake-flask method
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